SCHEMBL24631891

SCHEMBL24631891

Cc1c(F)c(C(C)(C)C)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 7/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ HPRT1 P00492 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6548177 0.82 CYP2A6 (0.43) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL24713061 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL14902935 0.76 CYP2A6 (0.45) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL26051993 0.75 CYP1A2 (0.37) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL15853141 0.75 CYP1A2 (0.41) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL24449220 0.74 CYP1A2 (0.39) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL22857654 0.74 CYP1A2 (0.38) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL16646896 0.73 TRPM4 (0.52) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL2873052 0.72 TSHR (0.56) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL24712674 0.71 CYP1A2 (0.57) CYP1A2CYP2A6TSHRALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298190-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-09-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220298190-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LARP1 CYP1A2 1498/4885CYP2A6 1745/4885TSHR 875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback